2-(ethenylsulfanylmethyl)-4,4-dimethyloxane

C10H18OS — CID 139381137

IUPAC2-(ethenylsulfanylmethyl)-4,4-dimethyloxane
SMILESC=CSCC1CC(C)(C)CCO1
InChIInChI=1S/C10H18OS/c1-4-12-8-9-7-10(2,3)5-6-11-9/h4,9H,1,5-8H2,2-3H3
InChIKeyHSGRVASIWOPRAS-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds3

About 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane

2-(ethenylsulfanylmethyl)-4,4-dimethyloxane (PubChem CID 139381137) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane.

Molecular Properties

Compound Name2-(ethenylsulfanylmethyl)-4,4-dimethyloxane
PubChem CID139381137
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(ethenylsulfanylmethyl)-4,4-dimethyloxane
SMILESC=CSCC1CC(C)(C)CCO1
InChIInChI=1S/C10H18OS/c1-4-12-8-9-7-10(2,3)5-6-11-9/h4,9H,1,5-8H2,2-3H3
InChIKeyHSGRVASIWOPRAS-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane?
The IUPAC name of 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane (CID 139381137) is 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane.
What is the SMILES notation for 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane?
The canonical SMILES for 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane is C=CSCC1CC(C)(C)CCO1.
What is the InChIKey of 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane?
The InChIKey is HSGRVASIWOPRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-4-12-8-9-7-10(2,3)5-6-11-9/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane?
2-(ethenylsulfanylmethyl)-4,4-dimethyloxane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenylsulfanylmethyl)-4,4-dimethyloxane is sourced from PubChem (CID 139381137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).